7-(morpholine-4-carbonyl)-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-(morpholine-4-carbonyl)-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-(morpholine-4-carbonyl)-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0186 |
| Compound Name: | 7-(morpholine-4-carbonyl)-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C20 H26 N4 O4 |
| Smiles: | C1CC2=NN(CCOc3ccccc3)C(N2CCC1C(N1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6639 |
| logD: | 1.6638 |
| logSw: | -1.7453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.469 |
| InChI Key: | DBWAXFOVSAPINF-MRXNPFEDSA-N |